orbital_charges     :real:2:4,8
  0.147745422664210E+001  0.824500735376124E+000  0.835746218660614E+000
  0.820607110480447E+000  0.150217137451334E+001  0.838321798229096E+000
  0.828902417356773E+000  0.834365661772763E+000  0.147034226672819E+001
  0.818476006625133E+000  0.830097623691271E+000  0.828781835799871E+000
  0.153150089885497E+001  0.838513238391346E+000  0.834548529995907E+000
  0.839892952655031E+000  0.151226302201939E+001  0.838744575161130E+000
  0.826877843735818E+000  0.836069855635240E+000  0.146605674325614E+001
  0.839125287388241E+000  0.839994017189319E+000  0.821715674375786E+000
  0.154935825561658E+001  0.837611677663986E+000  0.837849575977092E+000
  0.839433416295953E+000  0.151042698102457E+001  0.827124204147683E+000
  0.832726710557238E+000  0.830399264182865E+000
forces              :real:2:3,8
  0.647527877212058E-002 -0.144892457616336E-001  0.707974006570742E-001
  0.148619840210409E-001 -0.278298201951007E-001 -0.271913423192256E-001
 -0.379622461128224E-001 -0.105671312365181E-001 -0.197213630872248E-001
  0.354093533110524E-001  0.393256540248040E-001  0.333216008669575E-001
 -0.139001269903437E-001 -0.197592215449298E-001 -0.272588557303421E-001
  0.218402501717749E-001  0.447240913938274E-001 -0.314787733336240E-001
 -0.460272460253719E-001  0.326028678639909E-001  0.383824804951037E-001
  0.193027528525492E-001 -0.440071945444401E-001 -0.368511475487189E-001
mermin_energy       :real:0:
 -0.103147509553907E+002
end_coords          :real:2:3,8
 -0.185345014768753E+000  0.242368027364756E+000 -0.442328667341739E+000
  0.253940671718412E+001  0.252656028087886E+001  0.261509285435566E+001
  0.520651768080854E+001  0.515156163026773E+001  0.195086907997418E+000
  0.774138028235407E+001  0.747288239462318E+001  0.236914437098938E+001
  0.521397262499371E+001 -0.574255712160766E-001  0.519712999090192E+001
  0.739136653493075E+001  0.249917037727425E+001  0.776279345314650E+001
  0.328736273941500E+000  0.497400307610598E+001  0.507247888200787E+001
  0.253111528498235E+001  0.795803016912762E+001  0.799775259236927E+001
